tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate

C20H37NO3 — CID 23388701

IUPACtert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate
SMILESCC(C)OCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H37NO3/c1-16(2)23-15-20(17-9-7-6-8-10-17)11-13-21(14-12-20)18(22)24-19(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyXWHWCKIPQJMUJG-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.01
Rot. Bonds4

About tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate (PubChem CID 23388701) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate
PubChem CID23388701
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Nametert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate
SMILESCC(C)OCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H37NO3/c1-16(2)23-15-20(17-9-7-6-8-10-17)11-13-21(14-12-20)18(22)24-19(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyXWHWCKIPQJMUJG-UHFFFAOYSA-N
XLogP5.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-[1-(10,10-diethyldodecoxy)-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 151382246
(5-Methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate
CID 10468204
Tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 11000987
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
CID 14709432
Tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
Tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 21018689
Tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate
CID 21018697
Tert-butyl 4-cyclohexyl-4-[(1-ethoxy-1-oxopropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 21061071
4-Cyclohexyl-4-methanesulfonyloxymethylpiperidine-1-carboxylic acid tert-butyl ester
CID 22228407
Tert-butyl 4-cyclohexyl-4-methoxy-1-piperidinecarboxylate
CID 22492894
Tert-butyl 4-cyclohexyl-4-(3-hydroxy-3-methylbutyl)piperidine-1-carboxylate
CID 23388699
Tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 58602432

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate (CID 23388701) is tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate is CC(C)OCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate?
The InChIKey is XWHWCKIPQJMUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-16(2)23-15-20(17-9-7-6-8-10-17)11-13-21(14-12-20)18(22)24-19(3,4)5/h16-17H,6-15H2,1-5H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate has a molecular weight of 339.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 23388701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).